丙酸异丙酯
TL;DR: 丙酸异丙酯 (CAS 637-78-5) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸异丙酯
propan-2-yl propanoate
Also Known As: ISOPROPYL PROPIONATE, Isopropyl propanoate, propan-2-yl propanoate, Propanoic acid, 1-methylethyl ester, 1-Methylethyl propanoate
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Boiling Point | 108.00 to 111.00 °C. @ 760.00 mm Hg |
| Density | 0.863-0.869 (20°) |
| Solubility | 5.95 mg/mL at 25 °C |
| Refractive Index | 1.384-1.390 |
Chemical Identifiers
| CAS Number | 637-78-5 |
|---|---|
| SMILES | CCC(=O)OC(C)C |
| InChIKey | IJMWOMHMDSDKGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸异丙酯 (CAS 637-78-5), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: propan-2-yl propanoate.
Chemical Property Profile of 丙酸异丙酯
Property Insights of 丙酸异丙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸异丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸异丙酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丙酸异丙酯?
The CAS number of 丙酸异丙酯 is 637-78-5.
What is the molecular formula of 丙酸异丙酯?
The molecular formula of 丙酸异丙酯 is C6H12O2.
What is the molecular weight of 丙酸异丙酯?
The molecular weight of 丙酸异丙酯 is 116.08 g/mol.
Where can I buy 丙酸异丙酯?
You can request a quote for 丙酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.